BAS 00380719
TL;DR: BAS 00380719 (CAS 294197-79-8) is a chemical compound with molecular formula C20H22FNO3 and molecular weight 343.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00380719, AB00076531-01, methyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, Methyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C20H22FNO3 |
|---|---|
| Molecular Weight | 343.16 g/mol |
| LogP | 3.6027 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.1584 |
| Heavy Atoms | 25 |
| Complexity | 819.9851 |
Chemical Identifiers
| CAS Number | 294197-79-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)F)C(=O)OC |
Product Overview
BAS 00380719 (CAS 294197-79-8), with molecular formula C20H22FNO3 and molecular weight 343.16 g/mol. IUPAC: methyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00380719
Property Insights of BAS 00380719
The XLogP value of 3.6027 indicates that BAS 00380719 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00380719 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00380719 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00380719?
The CAS number of BAS 00380719 is 294197-79-8.
What is the molecular formula of BAS 00380719?
The molecular formula of BAS 00380719 is C20H22FNO3.
What is the molecular weight of BAS 00380719?
The molecular weight of BAS 00380719 is 343.16 g/mol.
Where can I buy BAS 00380719?
You can request a quote for BAS 00380719 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00380719?
Yes, KEHONG BIO provides custom synthesis services for BAS 00380719 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.